SCHEMBL16775869

SCHEMBL16775869

Cc1cnccc1NC(=O)N1CCCNc2ccc(-c3cccc(F)c3)nc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.42
▸ GRM5 P41594 2/20 0.37
▸ RPS6KA3 P51812 4/20 0.36
▸ KIT P10721 2/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ NTRK1 P04629 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ BCR P11274 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16775881 0.91 TRPV1 (0.43) TRPV1RPS6KA3SLC22A12CYP11B2JAK2
SCHEMBL16775828 0.89 PIKFYVE (0.37) TRPV1KIT
SCHEMBL16775840 0.87 PIKFYVE (0.37) TRPV1KIT
SCHEMBL16776157 0.85 ROCK2 (0.36) TRPV1ABL1BCR
SCHEMBL16776101 0.84 WDR5 (0.33) RPS6KA3KITABL1BCR
SCHEMBL16775830 0.83 CNR2 (0.37) TRPV1GRM5RPS6KA3JAK2
SCHEMBL16775866 0.82 FGFR4 (0.45) TRPV1RPS6KA3WNT3A
SCHEMBL16775822 0.82 TRPV1 (0.37) TRPV1KIT
SCHEMBL16775945 0.82 PRKCI (0.39) TRPV1RPS6KA3JAK2ABL1BCR
SCHEMBL16775864 0.81 FGFR4 (0.44) TRPV1RPS6KA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV1 3670/4885GRM5 3471/4885RPS6KA3 2368/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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